1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C12H24N6O — CID 114150415

IUPAC1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NN)c(C)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H24N6O/c1-8-10(15-9(2)16-11(8)17-13)14-6-12(3,19)7-18(4)5/h19H,6-7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeySECAIVUTBZUUNN-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.10
Rot. Bonds6

About 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 114150415) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID114150415
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1nc(NN)c(C)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C12H24N6O/c1-8-10(15-9(2)16-11(8)17-13)14-6-12(3,19)7-18(4)5/h19H,6-7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeySECAIVUTBZUUNN-UHFFFAOYSA-N
XLogP0.10
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 114150415) is 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is Cc1nc(NN)c(C)c(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is SECAIVUTBZUUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-8-10(15-9(2)16-11(8)17-13)14-6-12(3,19)7-18(4)5/h19H,6-7,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 114150415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).